(5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one

C14H22F3N3O3 — CID 95235512

IUPAC(5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(CCCOCC(F)(F)F)CC2)N1
InChIInChI=1S/C14H22F3N3O3/c15-14(16,17)10-23-9-1-4-19-5-7-20(8-6-19)13(22)11-2-3-12(21)18-11/h11H,1-10H2,(H,18,21)/t11-/m1/s1
InChIKeyTZBIPUAWXYFMGX-LLVKDONJSA-N
MW337.34 g/mol
LogP0.38
Rot. Bonds6

About (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95235512) has the molecular formula C14H22F3N3O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID95235512
Molecular FormulaC14H22F3N3O3
Molecular Weight337.34 g/mol
Exact Mass337.16
IUPAC Name(5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(CCCOCC(F)(F)F)CC2)N1
InChIInChI=1S/C14H22F3N3O3/c15-14(16,17)10-23-9-1-4-19-5-7-20(8-6-19)13(22)11-2-3-12(21)18-11/h11H,1-10H2,(H,18,21)/t11-/m1/s1
InChIKeyTZBIPUAWXYFMGX-LLVKDONJSA-N
XLogP0.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 95235512) is (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@H](C(=O)N2CCN(CCCOCC(F)(F)F)CC2)N1.
What is the InChIKey of (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is TZBIPUAWXYFMGX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22F3N3O3/c15-14(16,17)10-23-9-1-4-19-5-7-20(8-6-19)13(22)11-2-3-12(21)18-11/h11H,1-10H2,(H,18,21)/t11-/m1/s1.
What are the key properties of (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 337.34 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95235512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).